4-(3,3,4-Trimethylcyclopentyl)morpholine

C12H23NO — CID 59012731

IUPAC4-(3,3,4-trimethylcyclopentyl)morpholine
SMILESCC1CC(CC1(C)C)N2CCOCC2
InChIInChI=1S/C12H23NO/c1-10-8-11(9-12(10,2)3)13-4-6-14-7-5-13/h10-11H,4-9H2,1-3H3
InChIKeyOPYWXJVEUIQAMC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.40
Rot. Bonds1

About 4-(3,3,4-Trimethylcyclopentyl)morpholine

4-(3,3,4-Trimethylcyclopentyl)morpholine (PubChem CID 59012731) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(3,3,4-trimethylcyclopentyl)morpholine.

Molecular Properties

Compound Name4-(3,3,4-Trimethylcyclopentyl)morpholine
PubChem CID59012731
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(3,3,4-trimethylcyclopentyl)morpholine
SMILESCC1CC(CC1(C)C)N2CCOCC2
InChIInChI=1S/C12H23NO/c1-10-8-11(9-12(10,2)3)13-4-6-14-7-5-13/h10-11H,4-9H2,1-3H3
InChIKeyOPYWXJVEUIQAMC-UHFFFAOYSA-N
XLogP2.40
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,4-Trimethylcyclopentyl)morpholine?
The IUPAC name of 4-(3,3,4-Trimethylcyclopentyl)morpholine (CID 59012731) is 4-(3,3,4-trimethylcyclopentyl)morpholine.
What is the SMILES notation for 4-(3,3,4-Trimethylcyclopentyl)morpholine?
The canonical SMILES for 4-(3,3,4-Trimethylcyclopentyl)morpholine is CC1CC(CC1(C)C)N2CCOCC2.
What is the InChIKey of 4-(3,3,4-Trimethylcyclopentyl)morpholine?
The InChIKey is OPYWXJVEUIQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-8-11(9-12(10,2)3)13-4-6-14-7-5-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(3,3,4-Trimethylcyclopentyl)morpholine?
4-(3,3,4-Trimethylcyclopentyl)morpholine has a molecular weight of 197.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,4-Trimethylcyclopentyl)morpholine is sourced from PubChem (CID 59012731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).